3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one

C14H11BrN2O2 — CID 117206866

IUPAC3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2-c1ccccc1Br
InChIInChI=1S/C14H11BrN2O2/c1-19-12-8-4-7-11-13(12)16-14(18)17(11)10-6-3-2-5-9(10)15/h2-8H,1H3,(H,16,18)
InChIKeyDIDAUWOJQKHSIG-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.09
Rot. Bonds2

About 3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one

3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one (PubChem CID 117206866) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one
PubChem CID117206866
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2-c1ccccc1Br
InChIInChI=1S/C14H11BrN2O2/c1-19-12-8-4-7-11-13(12)16-14(18)17(11)10-6-3-2-5-9(10)15/h2-8H,1H3,(H,16,18)
InChIKeyDIDAUWOJQKHSIG-UHFFFAOYSA-N
XLogP3.09
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one (CID 117206866) is 3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one is COc1cccc2c1[nH]c(=O)n2-c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one?
The InChIKey is DIDAUWOJQKHSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-19-12-8-4-7-11-13(12)16-14(18)17(11)10-6-3-2-5-9(10)15/h2-8H,1H3,(H,16,18).
What are the key properties of 3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one?
3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one has a molecular weight of 319.16 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117206866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).